2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
TL;DR: 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one (CAS 499975-92-7) is a chemical compound with molecular formula C9H11F7N2O and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
Also Known As: BAS 00501842, 1-Heptafluorobutynyl-4-methylpiperazine, 2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one, 1-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-4-methylpiperazine #, 2,2,3,3,4,4,4-Heptafluoro-1-(4-methyl-piperazin-1-yl)-butan-1-one
| Molecular Formula | C9H11F7N2O |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07596 |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 499975-92-7 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C(C(C(F)(F)F)(F)F)(F)F |
| InChIKey | PVOHTVUHQALSJJ-UHFFFAOYSA-N |
Product Overview
2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one (CAS 499975-92-7), with molecular formula C9H11F7N2O and molecular weight 296.08 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one.
Chemical Property Profile of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
Property Insights of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one. With a topological polar surface area (TPSA) of 23.6 Ų, 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one?
The CAS number of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one is 499975-92-7.
What is the molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one?
The molecular formula of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one is C9H11F7N2O.
What is the molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one?
The molecular weight of 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one is 296.08 g/mol.
Where can I buy 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one?
You can request a quote for 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.